Chemical Properties of 1,1-Cyclobutanedicarboxylic acid (CAS 5445-51-2)

InChI

InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)

InChI Key

CCQPAEQGAVNNIA-UHFFFAOYSA-N

Formula

C6H8O4

SMILES

O=C(O)C1(C(=O)O)CCC1

Molecular Weight¹

144.13

CAS

5445-51-2

Other Names

• Cyclobutane-1,1-dicarboxylic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-488.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.50 ± 1.20	kJ/mol	NIST
ΔfH°solid	-835.70 ± 1.00	kJ/mol	NIST
ΔfusH°	12.41	kJ/mol	Joback Calculated Property
ΔsubH°	[111.20; 111.20]	kJ/mol
ΔsubH°	111.20 ± 0.70	kJ/mol	NIST
ΔsubH°	111.20	kJ/mol	NIST
ΔvapH°	74.73	kJ/mol	Joback Calculated Property
log10WS	-0.19		Crippen Calculated Property
logPoct/wat	0.326		Crippen Calculated Property
McVol	99.420	ml/mol	McGowan Calculated Property
Pc	6065.55	kPa	Joback Calculated Property
Tboil	640.03	K	Joback Calculated Property
Tc	834.91	K	Joback Calculated Property
Tfus	417.20	K	Joback Calculated Property
Vc	0.368	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.17; 298.24]	J/mol×K	[640.03; 834.91]
Cp,gas	259.17	J/mol×K	640.03	Joback Calculated Property
Cp,gas	266.26	J/mol×K	672.51	Joback Calculated Property
Cp,gas	273.01	J/mol×K	704.99	Joback Calculated Property
Cp,gas	279.49	J/mol×K	737.47	Joback Calculated Property
Cp,gas	285.80	J/mol×K	769.95	Joback Calculated Property
Cp,gas	292.02	J/mol×K	802.43	Joback Calculated Property
Cp,gas	298.24	J/mol×K	834.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Cyclobutanedicarboxylic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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